Chemical Properties of Glutaric acid, hexyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C18H22F4O4/c1-2-3-4-5-9-25-14(23)7-6-8-15(24)26-11-12-10-13(19)17(21)18(22)16(12)20/h10H,2-9,11H2,1H3

InChI Key

XXKAYSDUBXRMMZ-UHFFFAOYSA-N

Formula

C18H22F4O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

378.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1072.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1498.24	kJ/mol	Joback Calculated Property
ΔfusH°	52.75	kJ/mol	Joback Calculated Property
ΔvapH°	75.63	kJ/mol	Joback Calculated Property
log10WS	-6.01		Crippen Calculated Property
logPoct/wat	4.580		Crippen Calculated Property
McVol	262.680	ml/mol	McGowan Calculated Property
Pc	1309.90	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	807.50	K	Joback Calculated Property
Tc	993.68	K	Joback Calculated Property
Tfus	515.80	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.08; 858.79]	J/mol×K	[807.50; 993.68]
Cp,gas	789.08	J/mol×K	807.50	Joback Calculated Property
Cp,gas	802.92	J/mol×K	838.53	Joback Calculated Property
Cp,gas	815.87	J/mol×K	869.56	Joback Calculated Property
Cp,gas	827.93	J/mol×K	900.59	Joback Calculated Property
Cp,gas	839.10	J/mol×K	931.62	Joback Calculated Property
Cp,gas	849.38	J/mol×K	962.65	Joback Calculated Property
Cp,gas	858.79	J/mol×K	993.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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